2-amino-8-methyl-6-(2-methylphenyl)pteridin-7-one

C14H13N5O — CID 141137248

IUPAC2-amino-8-methyl-6-(2-methylphenyl)pteridin-7-one
SMILESCc1ccccc1-c1nc2cnc(N)nc2n(C)c1=O
InChIInChI=1S/C14H13N5O/c1-8-5-3-4-6-9(8)11-13(20)19(2)12-10(17-11)7-16-14(15)18-12/h3-7H,1-2H3,(H2,15,16,18)
InChIKeyOBWWMSZAQLFDKF-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.28
Rot. Bonds1

About 2-amino-8-methyl-6-(2-methylphenyl)pteridin-7-one

2-amino-8-methyl-6-(2-methylphenyl)pteridin-7-one (PubChem CID 141137248) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-amino-8-methyl-6-(2-methylphenyl)pteridin-7-one.

Molecular Properties

Compound Name2-amino-8-methyl-6-(2-methylphenyl)pteridin-7-one
PubChem CID141137248
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-amino-8-methyl-6-(2-methylphenyl)pteridin-7-one
SMILESCc1ccccc1-c1nc2cnc(N)nc2n(C)c1=O
InChIInChI=1S/C14H13N5O/c1-8-5-3-4-6-9(8)11-13(20)19(2)12-10(17-11)7-16-14(15)18-12/h3-7H,1-2H3,(H2,15,16,18)
InChIKeyOBWWMSZAQLFDKF-UHFFFAOYSA-N
XLogP1.28
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethyl-5-(2-methylphenyl)imidazol-4-amine
CID 62225946
2-amino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354765
2-methoxy-8-methyl-6-(1-methylindol-3-yl)pteridin-7-one
CID 3233427
N-[3-(2-amino-8-methyl-7-oxopteridin-6-yl)-4-methylphenyl]-3-(4-ethylpiperazin-1-yl)-5-(fluoromethyl)benzamide
CID 71067042
2-methyl-4-(2-methylphenyl)pyrimidin-5-amine
CID 82374855
3-amino-1-methyl-5-(2-methylphenyl)pyridin-2-one
CID 117222135
2-amino-6-(5-amino-4-fluoro-2-methylphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 69296204
3-amino-1-methyl-6-(2-methylphenyl)pyridin-2-one
CID 105467818
5-(2-methylphenyl)pyrimidin-2-amine
CID 11309934
2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 170437515
8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one
CID 3234627
N-[3-(2,8-dimethyl-7-oxopteridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;methanamine
CID 143161554

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methyl-6-(2-methylphenyl)pteridin-7-one?
The IUPAC name of 2-amino-8-methyl-6-(2-methylphenyl)pteridin-7-one (CID 141137248) is 2-amino-8-methyl-6-(2-methylphenyl)pteridin-7-one.
What is the SMILES notation for 2-amino-8-methyl-6-(2-methylphenyl)pteridin-7-one?
The canonical SMILES for 2-amino-8-methyl-6-(2-methylphenyl)pteridin-7-one is Cc1ccccc1-c1nc2cnc(N)nc2n(C)c1=O.
What is the InChIKey of 2-amino-8-methyl-6-(2-methylphenyl)pteridin-7-one?
The InChIKey is OBWWMSZAQLFDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-8-5-3-4-6-9(8)11-13(20)19(2)12-10(17-11)7-16-14(15)18-12/h3-7H,1-2H3,(H2,15,16,18).
What are the key properties of 2-amino-8-methyl-6-(2-methylphenyl)pteridin-7-one?
2-amino-8-methyl-6-(2-methylphenyl)pteridin-7-one has a molecular weight of 267.29 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyl-6-(2-methylphenyl)pteridin-7-one is sourced from PubChem (CID 141137248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).